2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3NO2S — CID 79257795

IUPAC2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccsc1)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)7-14(5-9(15)16)3-1-8-2-4-17-6-8/h2,4,6H,1,3,5,7H2,(H,15,16)
InChIKeyVBVPFAVQYRDSST-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.24
Rot. Bonds6

About 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257795) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257795
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccsc1)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)7-14(5-9(15)16)3-1-8-2-4-17-6-8/h2,4,6H,1,3,5,7H2,(H,15,16)
InChIKeyVBVPFAVQYRDSST-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103864932
2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266500
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid
CID 59302546
2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266672
2-[[4-(hydroxymethyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113365882
2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265960
2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258503
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397
2-[2-(4-fluorophenyl)sulfanylethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258611
6-thiophen-3-ylhexanoic acid
CID 24722734
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620

Frequently Asked Questions

What is the IUPAC name of 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257795) is 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCc1ccsc1)CC(F)(F)F.
What is the InChIKey of 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VBVPFAVQYRDSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)7-14(5-9(15)16)3-1-8-2-4-17-6-8/h2,4,6H,1,3,5,7H2,(H,15,16).
What are the key properties of 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 267.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).